Basic information
- Standard SMILES
CC(C)CC(O)C(C)C(=O)n1c(=O)oc2ccccc21- InChIKey
IBHIMLHHCDGDSP-UHFFFAOYSA-N- Molecular formula
- C15H19NO4
- Average molar mass
- 277.31 g/mol
- Monoisotopic mass
- 277.13140809
Names & identifiers
- Preferred name
- 3-(3-Hydroxy-2,5-dimethylhexanoyl)-1,3-benzoxazol-2-one
- IUPAC
- 3-(3-hydroxy-2,5-dimethylhexanoyl)-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL5858694
Database identifiers
- PubChem CID
- 69590763
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
1 records
Compound notes
Loading…